⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Methylphenylsulfide SCHEMBL1332325 | 0.97 | — | — | |
| Methylphenylsulfide SCHEMBL4902407 | 0.97 | — | — | |
| Methylphenylsulfide SCHEMBL7584 | 0.97 | — | — | |
| Methylphenylsulfide SCHEMBL27970000 | 0.97 | MAPT (0.53) | — | |
| Methylphenylsulfide SCHEMBL27951695 | 0.97 | MAPT (0.53) | — | |
| Methylphenylsulfide SCHEMBL4382713 | 0.93 | MAPT (0.50) | — | |
| Methylphenylsulfide SCHEMBL1335985 | 0.93 | MAPT (0.50) | — | |
| Methylphenylsulfide SCHEMBL10703265 | 0.93 | — | — | |
| Methylphenylsulfide SCHEMBL4456412 | 0.93 | MAPT (0.50) | — | |
| Methylphenylsulfide SCHEMBL6980826 | 0.93 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114436221-B | Stabilizer for preparing insoluble sulfur and preparation method thereof | 嘉兴学院 | 2023-03-10 | — | — | CN | claimed |
| CN-114436221-B | Stabilizer for preparing insoluble sulfur and preparation method thereof | 嘉兴学院 | 2023-03-10 | — | — | CN | disclosed |
| CN-114436221-A | Stabilizer for preparing insoluble sulfur and preparation method thereof | 嘉兴学院 | 2022-05-06 | — | — | CN | disclosed |
| WO-2005000228-A2 | SYNTHESIS OF LABELED OXALIC ACID DERIVATIVES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-01-06 | — | — | WO | disclosed |
| US-6753446-B1 | ACETIC ACID, (DIALKYLAMINO)OXO-, ALKYL ESTERS LABELED WITH CARBON-13 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-06-22 | — | — | US | disclosed |